SCHEMBL6465878

SCHEMBL6465878

NC(=O)Nc1cn(-c2ccc(Sc3ccc(F)cc3)c(Cl)c2)nc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.37
FAAH O00519 2/20 0.37
KCNH2 Q12809 2/20 0.37
KMT2A Q03164 2/20 0.36
UBE2N P61088 2/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
EPHX2 P34913 1/20 0.35
MAPT P10636 3/20 0.34
HPGD P15428 1/20 0.34
MAPK14 Q16539 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NR3C2 P08235 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6506095 0.88 ITK (0.39) ITKFAAHKCNH2ALDH1A1KDM4E
SCHEMBL6470631 0.86 KDM4E (0.42) ITKFAAHKCNH2KMT2AUBE2N
SCHEMBL6506233 0.86 ITK (0.39) ITKKCNH2KMT2AUBE2NMEN1
SCHEMBL6506908 0.82 ITK (0.42) ITKKMT2AALDH1A1KDM4EMEN1
SCHEMBL6467527 0.81 KDM4E (0.47) ITKKMT2AUBE2NALDH1A1KDM4E
SCHEMBL6468749 0.80 ITK (0.44) ITKKMT2AALDH1A1KDM4EMEN1
SCHEMBL6465977 0.80 ITK (0.40) ITKKMT2AALDH1A1KDM4EMEN1
SCHEMBL6498279 0.80 ALDH1A1 (0.47) ITKKMT2AALDH1A1KDM4EMAPT
SCHEMBL6469876 0.79 HSD11B1 (0.42) ITKKMT2AUBE2NKCNQ3KCNQ2
SCHEMBL6468649 0.78 ITK (0.43) ITKKMT2AALDH1A1KDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 ITK 4236/4885FAAH 3443/4885KCNH2 2980/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.